N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoyl]butyramide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C20H25N3O4S2/c1-4-27-17-9-5-16(6-10-17)23-29(25,26)18-11-7-15(8-12-18)21-20(28)22-19(24)13-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H2,21,22,24,28)