4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H21FN4S2 MolecularWeight: 400.535943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=S)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4S2/c21-16-7-5-15(6-8-16)13-22-20(26)25-11-9-24(10-12-25)14-19-23-17-3-1-2-4-18(17)27-19/h1-8H,9-14H2,(H,22,26)