N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C23H24ClN3O4S3 MolecularWeight: 538.10236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H24ClN3O4S3/c1-31-16-8-11-18-19(14-16)33-21(20(18)24)22(28)26-23(32)25-15-6-9-17(10-7-15)34(29,30)27-12-4-2-3-5-13-27/h6-11,14H,2-5,12-13H2,1H3,(H2,25,26,28,32)