(E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-(2-thienyl)acrylamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H23N3O3S3/c24-19(12-9-17-6-5-15-28-17)22-20(27)21-16-7-10-18(11-8-16)29(25,26)23-13-3-1-2-4-14-23/h5-12,15H,1-4,13-14H2,(H2,21,22,24,27)/b12-9+