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

Systemtic Name: N-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-(2-dimethylaminoethylsulfanyl)ethanamide Openeye Name: N-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-(2-dimethylaminoethylsulfanyl)acetamide CAS Name: N-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl]-2-(2-dimethylaminoethylthio)acetamide IUPAC Name: N-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-(2-dimethylaminoethylsulfanyl)acetamide Traditional Name: N-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl]-2-(2-dimethylaminoethylthio)acetamide Formula: C19H25ClN4OS2 MolecularWeight: 425.011

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CCCC=C2)Cl

Isomeric SMILES

CN(C)CCSCC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CCCC=C2)Cl

InChI

InChI=1S/C19H25ClN4OS2/c1-24(2)10-11-27-13-18(25)23-17-9-8-15(12-16(17)20)22-19(26)21-14-6-4-3-5-7-14/h4,6-9,12H,3,5,10-11,13H2,1-2H3,(H,23,25)(H2,21,22,26)