4-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]butan-1-one Formula: C22H22ClN3OS3 MolecularWeight: 476.07758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2N(CCCS2)C(=O)CCCSC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2N(CCCS2)C(=O)CCCSC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3OS3/c1-15-9-10-16(14-17(15)23)24-21-26(11-5-13-28-21)20(27)8-4-12-29-22-25-18-6-2-3-7-19(18)30-22/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3