3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide

Systemtic Name: 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]-N-propyl-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C21H23N3O3S/c1-3-13-22-20(26)16-8-6-9-17(14-16)23-21(28)24-19(25)12-11-15-7-4-5-10-18(15)27-2/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H2,23,24,25,28)/b12-11+