3-butyl-1-methyl-1-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea

Systemtic Name: 3-butyl-1-methyl-1-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 3-butyl-1-methyl-1-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 3-butyl-1-methyl-1-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 3-butyl-1-methyl-1-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 3-butyl-1-[(2-keto-5-nitro-indol-3-yl)amino]-1-methyl-thiourea Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)NC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N(C)NC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3S/c1-3-4-7-15-14(23)18(2)17-12-10-8-9(19(21)22)5-6-11(10)16-13(12)20/h5-6,8H,3-4,7H2,1-2H3,(H,15,23)(H,16,17,20)