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

Systemtic Name: 1-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-[(5-nitro-2-oxo-3-indolyl)amino]-3-propan-2-ylthiourea IUPAC Name: 1-[(5-nitro-2-oxoindol-3-yl)amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[(2-keto-5-nitro-indol-3-yl)amino]thiourea Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3S/c1-6(2)13-12(21)16-15-10-8-5-7(17(19)20)3-4-9(8)14-11(10)18/h3-6H,1-2H3,(H2,13,16,21)(H,14,15,18)