2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23N3O3S/c1-14(2)22-20(26)17-6-4-5-7-18(17)23-21(28)24-19(25)13-10-15-8-11-16(27-3)12-9-15/h4-14H,1-3H3,(H,22,26)(H2,23,24,25,28)/b13-10+