3-(1,3-benzodioxol-5-yl)-1-[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]propan-1-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2N(CCCS2)C(=O)CCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2N(CCCS2)C(=O)CCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-14-3-6-16(12-17(14)22)23-21-24(9-2-10-28-21)20(25)8-5-15-4-7-18-19(11-15)27-13-26-18/h3-4,6-7,11-12H,2,5,8-10,13H2,1H3