3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N,N-dipropyl-benzamide

Systemtic Name: 3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 3-[(4-heptoxybenzoyl)thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C28H39N3O3S MolecularWeight: 497.69256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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