N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S2/c1-2-17-30-21-10-6-5-9-20(21)22(27)25-23(31)24-18-11-13-19(14-12-18)32(28,29)26-15-7-3-4-8-16-26/h5-6,9-14H,2-4,7-8,15-17H2,1H3,(H2,24,25,27,31)