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

Systemtic Name: 1-cyclohexyl-3-[(Z)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Openeye Name: 1-cyclohexyl-3-[(Z)-[5-nitro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]thiourea CAS Name: 1-cyclohexyl-3-[(Z)-[5-nitro-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[(Z)-[5-nitro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Traditional Name: 1-cyclohexyl-3-[(Z)-[2-keto-5-nitro-1-(piperidinomethyl)indolin-3-ylidene]amino]thiourea Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=C2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CN4CCCCC4

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C\2/C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CN4CCCCC4

InChI

InChI=1S/C21H28N6O3S/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/h9-10,13,15H,1-8,11-12,14H2,(H2,22,24,31)/b23-19-