[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-(3-pyrrol-1-ylphenyl)methanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)N5C=CC=C5

InChI

InChI=1S/C23H22N4OS/c28-23(18-6-5-7-19(16-18)26-10-3-4-11-26)27-14-12-25(13-15-27)17-22-24-20-8-1-2-9-21(20)29-22/h1-11,16H,12-15,17H2