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

Systemtic Name: N-(2-diethylaminoethyl)-4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[(4-heptoxybenzoyl)thiocarbamoylamino]benzamide Formula: C28H40N4O3S MolecularWeight: 512.7072

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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)NCCN(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O3S/c1-4-7-8-9-10-21-35-25-17-13-23(14-18-25)27(34)31-28(36)30-24-15-11-22(12-16-24)26(33)29-19-20-32(5-2)6-3/h11-18H,4-10,19-21H2,1-3H3,(H,29,33)(H2,30,31,34,36)