2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(3-hydroxypropyl)benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-hydroxypropyl)benzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(3-hydroxypropyl)benzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-(3-hydroxypropyl)benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

InChI

InChI=1S/C25H33N3O4S/c1-2-3-4-5-8-18-32-20-14-12-19(13-15-20)23(30)28-25(33)27-22-11-7-6-10-21(22)24(31)26-16-9-17-29/h6-7,10-15,29H,2-5,8-9,16-18H2,1H3,(H,26,31)(H2,27,28,30,33)