[4-[(2-ethanimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-[(2-ethanimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-[(2-ethanimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperazin-1-yl]-[4-methyl-2-(4-pyridyl)thiazol-5-yl]methanone CAS Name: [4-[[2-(1-iminoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-1-piperazinyl]-(4-methyl-2-pyridin-4-yl-5-thiazolyl)methanone IUPAC Name: [4-[(2-ethanimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-[(2-acetimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperazino]-[4-methyl-2-(4-pyridyl)thiazol-5-yl]methanone Formula: C25H28N6O3S2 MolecularWeight: 524.65822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCN(C5)C(=N)C)C=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCN(C5)C(=N)C)C=C4

InChI

InChI=1S/C25H28N6O3S2/c1-17-23(35-24(28-17)20-5-8-27-9-6-20)25(32)29-11-13-31(14-12-29)36(33,34)22-4-3-19-7-10-30(18(2)26)16-21(19)15-22/h3-6,8-9,15,26H,7,10-14,16H2,1-2H3