3-methyl-N-[4-[(4-pentoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[(4-pentoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[(4-pentoxybenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 3-methyl-N-[4-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[(4-pentoxybenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: N-[4-[(4-amoxybenzoyl)thiocarbamoylamino]phenyl]-3-methyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C27H29N3O3S/c1-3-4-5-17-33-24-15-9-20(10-16-24)25(31)30-27(34)29-23-13-11-22(12-14-23)28-26(32)21-8-6-7-19(2)18-21/h6-16,18H,3-5,17H2,1-2H3,(H,28,32)(H2,29,30,31,34)