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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S2/c30-25(22-12-10-21(11-13-22)20-8-4-3-5-9-20)28-26(33)27-23-14-16-24(17-15-23)34(31,32)29-18-6-1-2-7-19-29/h3-5,8-17H,1-2,6-7,18-19H2,(H2,27,28,30,33)