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

Systemtic Name: 1-(2-methoxyethyl)-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-(2-methoxyethyl)-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-(2-methoxyethyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(2-methoxyethyl)thiourea Formula: C12H13N5O4S MolecularWeight: 323.32772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4S/c1-21-5-4-13-12(22)16-15-10-8-6-7(17(19)20)2-3-9(8)14-11(10)18/h2-3,6H,4-5H2,1H3,(H2,13,16,22)(H,14,15,18)