N-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino-1,3-thiazinane-3-carbothioamide

Systemtic Name: N-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino-1,3-thiazinane-3-carbothioamide Openeye Name: N-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino-1,3-thiazinane-3-carbothioamide CAS Name: N-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino-1,3-thiazinane-3-carbothioamide IUPAC Name: N-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino-1,3-thiazinane-3-carbothioamide Traditional Name: N-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino-1,3-thiazinane-3-carbothioamide Formula: C20H20N4S3 MolecularWeight: 412.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=C4N(CCCS4)C(=S)NC

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=C4N(CCCS4)C(=S)NC

InChI

InChI=1S/C20H20N4S3/c1-13-4-9-17-16(12-13)23-18(27-17)14-5-7-15(8-6-14)22-20-24(19(25)21-2)10-3-11-26-20/h4-9,12H,3,10-11H2,1-2H3,(H,21,25)