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

Systemtic Name: 2-methyl-N-[4-[(4-pentoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 2-methyl-N-[4-[(4-pentoxybenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 2-methyl-N-[4-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-[(4-pentoxybenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: N-[4-[(4-amoxybenzoyl)thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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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=C3C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C27H29N3O3S/c1-3-4-7-18-33-23-16-10-20(11-17-23)25(31)30-27(34)29-22-14-12-21(13-15-22)28-26(32)24-9-6-5-8-19(24)2/h5-6,8-17H,3-4,7,18H2,1-2H3,(H,28,32)(H2,29,30,31,34)