1-[1-[4-oxidanylidene-3-(piperidin-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[1-[4-oxidanylidene-3-(piperidin-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[1-[4-oxo-3-(1-piperidylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea CAS Name: 1-[1-[4-oxo-3-(1-piperidinylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[1-[4-oxo-3-(piperidin-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Traditional Name: 1-benzyl-3-[1-[4-keto-3-(piperidinomethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C(=C1)CN2CCCCC2)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(=C1C=CC(=O)C(=C1)CN2CCCCC2)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4OS/c1-17(24-25-22(28)23-15-18-8-4-2-5-9-18)19-10-11-21(27)20(14-19)16-26-12-6-3-7-13-26/h2,4-5,8-11,14,24H,3,6-7,12-13,15-16H2,1H3,(H2,23,25,28)