N-(3,4-dimethylphenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CO3)C

InChI

InChI=1S/C23H21N3O3S/c1-15-9-10-17(14-16(15)2)24-22(28)19-7-3-4-8-20(19)25-23(30)26-21(27)12-11-18-6-5-13-29-18/h3-14H,1-2H3,(H,24,28)(H2,25,26,27,30)/b12-11+