N-[5-(aminocarbamoyl)-4-ethanoyl-cyclohexa-1,5-dien-1-yl]-4-(butylcarbamothioylamino)benzamide

Systemtic Name: N-[5-(aminocarbamoyl)-4-ethanoyl-cyclohexa-1,5-dien-1-yl]-4-(butylcarbamothioylamino)benzamide Openeye Name: N-[4-acetyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-4-(butylcarbamothioylamino)benzamide CAS Name: N-[4-acetyl-5-(hydrazinecarbonyl)-1-cyclohexa-1,5-dienyl]-4-[[butylamino(sulfanylidene)methyl]amino]benzamide IUPAC Name: N-[4-acetyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-4-(butylcarbamothioylamino)benzamide Traditional Name: N-(4-acetyl-5-carbazoyl-cyclohexa-1,5-dien-1-yl)-4-(butylthiocarbamoylamino)benzamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)C(=O)NC2=CCC(C(=C2)C(=O)NN)C(=O)C

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)C(=O)NC2=CCC(C(=C2)C(=O)NN)C(=O)C

InChI

InChI=1S/C21H27N5O3S/c1-3-4-11-23-21(30)25-15-7-5-14(6-8-15)19(28)24-16-9-10-17(13(2)27)18(12-16)20(29)26-22/h5-9,12,17H,3-4,10-11,22H2,1-2H3,(H,24,28)(H,26,29)(H2,23,25,30)