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

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[(2-keto-5-nitro-indol-3-yl)amino]-3-[(1R)-2-methoxy-1-methyl-ethyl]thiourea Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4S/c1-7(6-22-2)14-13(23)17-16-11-9-5-8(18(20)21)3-4-10(9)15-12(11)19/h3-5,7H,6H2,1-2H3,(H2,14,17,23)(H,15,16,19)/t7-/m1/s1