[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-diethoxyphenyl)methanone

Systemtic Name: [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-[(4-cyclopropylthiazol-2-yl)methyl]piperazin-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-[(4-cyclopropyl-2-thiazolyl)methyl]-1-piperazinyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: [4-[(4-cyclopropylthiazol-2-yl)methyl]piperazino]-(3,4-diethoxyphenyl)methanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=CS3)C4CC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=CS3)C4CC4)OCC

InChI

InChI=1S/C22H29N3O3S/c1-3-27-19-8-7-17(13-20(19)28-4-2)22(26)25-11-9-24(10-12-25)14-21-23-18(15-29-21)16-5-6-16/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3