2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-propan-2-yl-benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-isopropyl-benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-isopropyl-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-4-5-6-7-10-17-31-20-15-13-19(14-16-20)23(29)28-25(32)27-22-12-9-8-11-21(22)24(30)26-18(2)3/h8-9,11-16,18H,4-7,10,17H2,1-3H3,(H,26,30)(H2,27,28,29,32)