1-(3-chloranyl-2-methyl-phenyl)-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(4-nitroanilino)ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-(4-nitroanilino)ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[2-(4-nitroanilino)ethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(4-nitroanilino)ethyl]thiourea Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O2S/c1-11-14(17)3-2-4-15(11)20-16(24)19-10-9-18-12-5-7-13(8-6-12)21(22)23/h2-8,18H,9-10H2,1H3,(H2,19,20,24)