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

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-(3-methoxypropyl)benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-3-4-5-6-9-19-33-21-15-13-20(14-16-21)24(30)29-26(34)28-23-12-8-7-11-22(23)25(31)27-17-10-18-32-2/h7-8,11-16H,3-6,9-10,17-19H2,1-2H3,(H,27,31)(H2,28,29,30,34)