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

Systemtic Name: N-[5-(aminocarbamoyl)-4-methanoyl-cyclohexa-1,5-dien-1-yl]-3-(2-methylheptan-2-ylcarbamothioylamino)benzamide Openeye Name: 3-(1,1-dimethylhexylcarbamothioylamino)-N-[4-formyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]benzamide CAS Name: N-[4-formyl-5-(hydrazinecarbonyl)-1-cyclohexa-1,5-dienyl]-3-[[(2-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-[4-formyl-5-(hydrazinecarbonyl)cyclohexa-1,5-dien-1-yl]-3-(2-methylheptan-2-ylcarbamothioylamino)benzamide Traditional Name: N-(5-carbazoyl-4-formyl-cyclohexa-1,5-dien-1-yl)-3-(1,1-dimethylhexylthiocarbamoylamino)benzamide Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3S/c1-4-5-6-12-24(2,3)28-23(33)27-18-9-7-8-16(13-18)21(31)26-19-11-10-17(15-30)20(14-19)22(32)29-25/h7-9,11,13-15,17H,4-6,10,12,25H2,1-3H3,(H,26,31)(H,29,32)(H2,27,28,33)