N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide Traditional Name: 2-methyl-N-[4-[[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C27H26N4O4S MolecularWeight: 502.58474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C27H26N4O4S/c1-3-35-22-15-8-19(9-16-22)10-17-24(32)29-27(36)31-30-25(33)20-11-13-21(14-12-20)28-26(34)23-7-5-4-6-18(23)2/h4-17H,3H2,1-2H3,(H,28,34)(H,30,33)(H2,29,31,32,36)/b17-10+