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

Systemtic Name: 1-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-benzyl-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c1-11-9-13(7-8-14(11)20(22)23)15(21)18-19-16(24)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21)(H2,17,19,24)