N-[5-(aminocarbamoyl)-4-methanoyl-cyclohexa-1,5-dien-1-yl]-3-(phenylcarbamothioylamino)benzamide

Systemtic Name: N-[5-(aminocarbamoyl)-4-methanoyl-cyclohexa-1,5-dien-1-yl]-3-(phenylcarbamothioylamino)benzamide Openeye Name: N-[4-formyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-3-(phenylcarbamothioylamino)benzamide CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-N-[4-formyl-5-(hydrazinecarbonyl)-1-cyclohexa-1,5-dienyl]benzamide IUPAC Name: N-[4-formyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-3-(phenylcarbamothioylamino)benzamide Traditional Name: N-(5-carbazoyl-4-formyl-cyclohexa-1,5-dien-1-yl)-3-(phenylthiocarbamoylamino)benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1C=O)C(=O)NN)NC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1C=C(C=C(C1C=O)C(=O)NN)NC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O3S/c23-27-21(30)19-12-18(10-9-15(19)13-28)24-20(29)14-5-4-8-17(11-14)26-22(31)25-16-6-2-1-3-7-16/h1-8,10-13,15H,9,23H2,(H,24,29)(H,27,30)(H2,25,26,31)