1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(Z)-(4-chlorophenyl)sulfonylimino-phenylmethyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(4-methoxyphenyl)thiourea Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O3S2/c1-28-18-11-9-17(10-12-18)23-21(29)24-20(15-5-3-2-4-6-15)25-30(26,27)19-13-7-16(22)8-14-19/h2-14H,1H3,(H2,23,24,25,29)