[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

InChI=1S/C27H35N3O4S/c1-6-32-21-16-19(17-22(33-7-2)25(21)34-8-3)26(31)29-12-14-30(15-13-29)27-28-24-20(18(4)5)10-9-11-23(24)35-27/h9-11,16-18H,6-8,12-15H2,1-5H3