2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[(4-heptoxybenzoyl)thiocarbamoylamino]benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-3-5-6-7-10-18-31-20-15-13-19(14-16-20)23(29)28-25(32)27-22-12-9-8-11-21(22)24(30)26-17-4-2/h4,8-9,11-16H,2-3,5-7,10,17-18H2,1H3,(H,26,30)(H2,27,28,29,32)