4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N,N-dipropyl-benzamide

Systemtic Name: 4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 4-[(4-heptoxybenzoyl)carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 4-[(4-heptoxybenzoyl)carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 4-[(4-heptoxybenzoyl)thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C28H39N3O3S MolecularWeight: 497.69256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CCC)CCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CCC)CCC

InChI

InChI=1S/C28H39N3O3S/c1-4-7-8-9-10-21-34-25-17-13-22(14-18-25)26(32)30-28(35)29-24-15-11-23(12-16-24)27(33)31(19-5-2)20-6-3/h11-18H,4-10,19-21H2,1-3H3,(H2,29,30,32,35)