N-[4-(4-phenethylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: N-[4-(4-phenethylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide Openeye Name: N-[4-(4-phenethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide CAS Name: N-[4-[oxo-(4-phenethyl-1-piperazinyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-[4-(4-phenethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide Traditional Name: N-[4-(4-phenethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC(=N2)NC(=O)C3=CC=CC=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

C1CC(C2=C(C1)SC(=N2)NC(=O)C3=CC=CC=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2S/c32-25(21-10-5-2-6-11-21)29-27-28-24-22(12-7-13-23(24)34-27)26(33)31-18-16-30(17-19-31)15-14-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,28,29,32)