1-[(2R)-1-methoxypropan-2-yl]-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonylamino]thiourea

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonylamino]thiourea Openeye Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-[(1R)-2-methoxy-1-methyl-ethyl]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[[3-nitro-4-[(phenylmethyl)amino]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[[4-(benzylamino)-3-nitrobenzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea Traditional Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-[(1R)-2-methoxy-1-methyl-ethyl]thiourea Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NNC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NC(=S)NNC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4S/c1-13(12-28-2)21-19(29)23-22-18(25)15-8-9-16(17(10-15)24(26)27)20-11-14-6-4-3-5-7-14/h3-10,13,20H,11-12H2,1-2H3,(H,22,25)(H2,21,23,29)/t13-/m1/s1