3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-propyl-benzamide

Systemtic Name: 3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-propyl-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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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)NCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-3-5-6-7-8-17-31-22-14-12-19(13-15-22)24(30)28-25(32)27-21-11-9-10-20(18-21)23(29)26-16-4-2/h9-15,18H,3-8,16-17H2,1-2H3,(H,26,29)(H2,27,28,30,32)