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

Systemtic Name: N-butan-2-yl-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S/c1-4-6-7-8-11-18-32-21-16-14-20(15-17-21)24(30)29-26(33)28-23-13-10-9-12-22(23)25(31)27-19(3)5-2/h9-10,12-17,19H,4-8,11,18H2,1-3H3,(H,27,31)(H2,28,29,30,33)