3-chloranyl-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H20ClN3O2S2/c1-29(15-16-8-3-2-4-9-16)24(31)17-10-7-11-18(14-17)27-25(32)28-23(30)22-21(26)19-12-5-6-13-20(19)33-22/h2-14H,15H2,1H3,(H2,27,28,30,32)