1-[(Z)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-phenyl-thiourea

Systemtic Name: 1-[(Z)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-phenyl-thiourea Openeye Name: 1-[(Z)-[5-nitro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-3-phenyl-thiourea CAS Name: 1-[(Z)-[5-nitro-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]-3-phenylthiourea IUPAC Name: 1-[(Z)-[5-nitro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-phenylthiourea Traditional Name: 1-[(Z)-[2-keto-5-nitro-1-(piperidinomethyl)indolin-3-ylidene]amino]-3-phenyl-thiourea Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NNC(=S)NC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CCN(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])/C(=N/NC(=S)NC4=CC=CC=C4)/C2=O

InChI

InChI=1S/C21H22N6O3S/c28-20-19(23-24-21(31)22-15-7-3-1-4-8-15)17-13-16(27(29)30)9-10-18(17)26(20)14-25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H2,22,24,31)/b23-19-