N-[5-(aminocarbamoyl)-4-ethanoyl-cyclohexa-1,5-dien-1-yl]-3-(prop-2-enylcarbamothioylamino)benzamide

Systemtic Name: N-[5-(aminocarbamoyl)-4-ethanoyl-cyclohexa-1,5-dien-1-yl]-3-(prop-2-enylcarbamothioylamino)benzamide Openeye Name: N-[4-acetyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-3-(allylcarbamothioylamino)benzamide CAS Name: N-[4-acetyl-5-(hydrazinecarbonyl)-1-cyclohexa-1,5-dienyl]-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-[4-acetyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-3-(prop-2-enylcarbamothioylamino)benzamide Traditional Name: N-(4-acetyl-5-carbazoyl-cyclohexa-1,5-dien-1-yl)-3-(allylthiocarbamoylamino)benzamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC=C(C=C1C(=O)NN)NC(=O)C2=CC(=CC=C2)NC(=S)NCC=C

Isomeric SMILES

CC(=O)C1CC=C(C=C1C(=O)NN)NC(=O)C2=CC(=CC=C2)NC(=S)NCC=C

InChI

InChI=1S/C20H23N5O3S/c1-3-9-22-20(29)24-14-6-4-5-13(10-14)18(27)23-15-7-8-16(12(2)26)17(11-15)19(28)25-21/h3-7,10-11,16H,1,8-9,21H2,2H3,(H,23,27)(H,25,28)(H2,22,24,29)