1-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]thiourea CAS Name: 1-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]thiourea Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2S/c1-11(13-7-8-14(17)15(9-13)21(22)23)19-20-16(24)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,20,24)/b19-11+