N-(4-phenylpiperazin-1-yl)carbothioyl-3-propan-2-yloxy-benzamide

Systemtic Name: N-(4-phenylpiperazin-1-yl)carbothioyl-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-(4-phenylpiperazine-1-carbothioyl)-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-16(2)26-19-10-6-7-17(15-19)20(25)22-21(27)24-13-11-23(12-14-24)18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3,(H,22,25,27)