N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S2/c1-2-16-30-20-9-7-8-18(17-20)22(27)25-23(31)24-19-10-12-21(13-11-19)32(28,29)26-14-5-3-4-6-15-26/h7-13,17H,2-6,14-16H2,1H3,(H2,24,25,27,31)