4-(1,3-benzothiazol-2-ylmethyl)-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-fluoro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H21FN4S2 MolecularWeight: 400.535943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H21FN4S2/c1-14-6-7-15(12-16(14)21)22-20(26)25-10-8-24(9-11-25)13-19-23-17-4-2-3-5-18(17)27-19/h2-7,12H,8-11,13H2,1H3,(H,22,26)