N-[2-(aminocarbamoyl)-3-methanoyl-cyclohexa-1,5-dien-1-yl]-4-(phenylcarbamothioylamino)benzamide

Systemtic Name: N-[2-(aminocarbamoyl)-3-methanoyl-cyclohexa-1,5-dien-1-yl]-4-(phenylcarbamothioylamino)benzamide Openeye Name: N-[3-formyl-2-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-4-(phenylcarbamothioylamino)benzamide CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-N-[3-formyl-2-(hydrazinecarbonyl)-1-cyclohexa-1,5-dienyl]benzamide IUPAC Name: N-[3-formyl-2-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-4-(phenylcarbamothioylamino)benzamide Traditional Name: N-(2-carbazoyl-3-formyl-cyclohexa-1,5-dien-1-yl)-4-(phenylthiocarbamoylamino)benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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