1-(4-methylphenyl)-3-[(Z)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[(Z)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Openeye Name: 1-[(Z)-[5-nitro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[(Z)-[5-nitro-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[(Z)-[5-nitro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Traditional Name: 1-[(Z)-[2-keto-5-nitro-1-(piperidinomethyl)indolin-3-ylidene]amino]-3-(p-tolyl)thiourea Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N/N=C\2/C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CN4CCCCC4

InChI

InChI=1S/C22H24N6O3S/c1-15-5-7-16(8-6-15)23-22(32)25-24-20-18-13-17(28(30)31)9-10-19(18)27(21(20)29)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H2,23,25,32)/b24-20-