4-tert-butyl-N-[3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(4-heptoxybenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(4-heptoxybenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(4-heptoxybenzoyl)thiocarbamoylamino]phenyl]benzamide Formula: C32H39N3O3S MolecularWeight: 545.73536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C32H39N3O3S/c1-5-6-7-8-9-21-38-28-19-15-24(16-20-28)30(37)35-31(39)34-27-12-10-11-26(22-27)33-29(36)23-13-17-25(18-14-23)32(2,3)4/h10-20,22H,5-9,21H2,1-4H3,(H,33,36)(H2,34,35,37,39)