1-[4-chloranyl-2-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[4-chloranyl-2-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]thiourea CAS Name: 1-[4-chloro-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]thiourea Traditional Name: 1-benzyl-3-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]thiourea Formula: C24H23ClN2O4S MolecularWeight: 470.96842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C=CC(=C2)Cl)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C=CC(=C2)Cl)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C24H23ClN2O4S/c1-29-20-11-16(12-21(30-2)23(20)31-3)22(28)18-13-17(25)9-10-19(18)27-24(32)26-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H2,26,27,32)