3-chloranyl-N-[2-[(4-dimethylaminophenyl)carbamoyl]-4-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(4-dimethylaminophenyl)carbamoyl]-4-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(4-dimethylaminophenyl)carbamoyl]-4-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[[4-(dimethylamino)anilino]-oxomethyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(4-dimethylaminophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[(4-dimethylaminophenyl)carbamoyl]-4-methyl-phenyl]benzothiophene-2-carboxamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)NC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)NC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H22ClN3O2S/c1-15-8-13-20(28-25(31)23-22(26)18-6-4-5-7-21(18)32-23)19(14-15)24(30)27-16-9-11-17(12-10-16)29(2)3/h4-14H,1-3H3,(H,27,30)(H,28,31)