1-[[(6E)-2-azanyl-6-[2-(cyclopropylmethoxy)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridin-3-yl]methyl]-3-phenyl-thiourea

Systemtic Name: 1-[[(6E)-2-azanyl-6-[2-(cyclopropylmethoxy)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridin-3-yl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridin-3-yl]methyl]-3-phenyl-thiourea CAS Name: 1-[[(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxo-1-cyclohexa-2,4-dienylidene]-4-(3-piperidinyl)-1H-pyridin-3-yl]methyl]-3-phenylthiourea IUPAC Name: 1-[[(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridin-3-yl]methyl]-3-phenylthiourea Traditional Name: 1-[[(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-keto-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridin-3-yl]methyl]-3-phenyl-thiourea Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3OCC4CC4)NC(=C2CNC(=S)NC5=CC=CC=C5)N

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4CC4)/NC(=C2CNC(=S)NC5=CC=CC=C5)N

InChI

InChI=1S/C28H33N5O2S/c29-27-22(16-31-28(36)32-20-7-2-1-3-8-20)21(19-6-5-13-30-15-19)14-23(33-27)26-24(34)9-4-10-25(26)35-17-18-11-12-18/h1-4,7-10,14,18-19,30,33H,5-6,11-13,15-17,29H2,(H2,31,32,36)/b26-23-