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

Systemtic Name: 3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-propyl-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCCC

InChI

InChI=1S/C24H31N3O3S/c1-3-5-6-7-16-30-21-13-11-18(12-14-21)23(29)27-24(31)26-20-10-8-9-19(17-20)22(28)25-15-4-2/h8-14,17H,3-7,15-16H2,1-2H3,(H,25,28)(H2,26,27,29,31)