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

Systemtic Name: 1-butyl-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-butyl-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-butyl-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-butyl-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-butyl-3-[(2-keto-5-nitro-indol-3-yl)amino]thiourea Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-2-3-6-14-13(22)17-16-11-9-7-8(18(20)21)4-5-10(9)15-12(11)19/h4-5,7H,2-3,6H2,1H3,(H2,14,17,22)(H,15,16,19)