1-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-1-methyl-thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(2-chloro-5-nitrophenyl)carbamothioylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-1-methyl-thiourea Formula: C16H16ClN5O2S2 MolecularWeight: 409.91354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S2/c1-21(16(26)18-10-11-5-3-2-4-6-11)20-15(25)19-14-9-12(22(23)24)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,26)(H2,19,20,25)