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

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-(2-methylallyl)-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(2-methylallyl)thiourea Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3S/c1-7(2)6-14-13(22)17-16-11-9-5-8(18(20)21)3-4-10(9)15-12(11)19/h3-5H,1,6H2,2H3,(H2,14,17,22)(H,15,16,19)