1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-1-methyl-thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-1-methylthiourea Traditional Name: 3-benzyl-1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-1-methyl-thiourea Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c1-23(19(28)20-12-13-5-3-2-4-6-13)22-18(25)14-7-10-16(21-15-8-9-15)17(11-14)24(26)27/h2-7,10-11,15,21H,8-9,12H2,1H3,(H,20,28)(H,22,25)