3-chloranyl-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C29H21ClN4O2S2 MolecularWeight: 557.08564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C29H21ClN4O2S2/c30-25-22-11-5-7-13-24(22)38-26(25)28(36)34-29(37)33-23-12-6-4-10-21(23)27(35)32-20-16-14-19(15-17-20)31-18-8-2-1-3-9-18/h1-17,31H,(H,32,35)(H2,33,34,36,37)