2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

InChI

InChI=1S/C27H35N3O4S/c1-2-3-4-5-8-17-33-21-15-13-20(14-16-21)25(31)30-27(35)29-24-12-7-6-11-23(24)26(32)28-19-22-10-9-18-34-22/h6-7,11-16,22H,2-5,8-10,17-19H2,1H3,(H,28,32)(H2,29,30,31,35)