N-(3-bromophenyl)-4-(thiophen-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-(thiophen-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-(2-thienylmethyl)piperazine-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-(thiophen-2-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-bromophenyl)-4-(thiophen-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-(2-thenyl)piperazine-1-carbothioamide Formula: C16H18BrN3S2 MolecularWeight: 396.36822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H18BrN3S2/c17-13-3-1-4-14(11-13)18-16(21)20-8-6-19(7-9-20)12-15-5-2-10-22-15/h1-5,10-11H,6-9,12H2,(H,18,21)