4-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Formula: C21H24N4S2 MolecularWeight: 396.57206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4S2/c1-2-16-6-5-7-17(14-16)22-21(26)25-12-10-24(11-13-25)15-20-23-18-8-3-4-9-19(18)27-20/h3-9,14H,2,10-13,15H2,1H3,(H,22,26)