N-(2-diethylaminoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-diethylaminoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-diethylaminoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C30H34N4O3S3 MolecularWeight: 594.81096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C30H34N4O3S3/c1-4-32(5-2)18-19-34(30-31-27-15-12-25(38-3)20-28(27)39-30)29(35)23-10-13-26(14-11-23)40(36,37)33-17-16-22-8-6-7-9-24(22)21-33/h6-15,20H,4-5,16-19,21H2,1-3H3