N-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-(2-methylpiperidin-1-yl)ethanamide

Systemtic Name: N-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-(2-methylpiperidin-1-yl)ethanamide Openeye Name: N-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-(2-methyl-1-piperidyl)acetamide CAS Name: N-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl]-2-(2-methyl-1-piperidinyl)acetamide IUPAC Name: N-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-(2-methylpiperidin-1-yl)acetamide Traditional Name: N-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl]-2-(2-methylpiperidino)acetamide Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC(=O)NC2=C(C=C(C=C2)NC(=S)NC3=CCCC=C3)Cl

Isomeric SMILES

CC1CCCCN1CC(=O)NC2=C(C=C(C=C2)NC(=S)NC3=CCCC=C3)Cl

InChI

InChI=1S/C21H27ClN4OS/c1-15-7-5-6-12-26(15)14-20(27)25-19-11-10-17(13-18(19)22)24-21(28)23-16-8-3-2-4-9-16/h3,8-11,13,15H,2,4-7,12,14H2,1H3,(H,25,27)(H2,23,24,28)