4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[(4-heptoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[(4-heptoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-(2-methoxyethyl)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=C(C=C2)C(=O)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-3-4-5-6-7-17-32-22-14-10-20(11-15-22)24(30)28-25(33)27-21-12-8-19(9-13-21)23(29)26-16-18-31-2/h8-15H,3-7,16-18H2,1-2H3,(H,26,29)(H2,27,28,30,33)