1-methyl-1-[(4-nitrophenyl)carbamothioylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-methyl-1-[(4-nitrophenyl)carbamothioylamino]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[(4-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-methyl-1-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[(4-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 3-benzyl-1-methyl-1-[(4-nitrophenyl)thiocarbamoylamino]thiourea Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O2S2/c1-20(16(25)17-11-12-5-3-2-4-6-12)19-15(24)18-13-7-9-14(10-8-13)21(22)23/h2-10H,11H2,1H3,(H,17,25)(H2,18,19,24)