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

Systemtic Name: 1-methyl-3-[(E)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Openeye Name: 1-methyl-3-[(E)-[5-nitro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]thiourea CAS Name: 1-methyl-3-[(E)-[5-nitro-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]thiourea IUPAC Name: 1-methyl-3-[(E)-[5-nitro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Traditional Name: 1-[(E)-[2-keto-5-nitro-1-(piperidinomethyl)indolin-3-ylidene]amino]-3-methyl-thiourea Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CN3CCCCC3

Isomeric SMILES

CNC(=S)N/N=C/1\C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CN3CCCCC3

InChI

InChI=1S/C16H20N6O3S/c1-17-16(26)19-18-14-12-9-11(22(24)25)5-6-13(12)21(15(14)23)10-20-7-3-2-4-8-20/h5-6,9H,2-4,7-8,10H2,1H3,(H2,17,19,26)/b18-14+