N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyramide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c21-15-5-6-16-17(11-15)27-20(22-16)23-18(25)7-8-19(26)24-10-9-13-3-1-2-4-14(13)12-24/h1-6,11H,7-10,12H2,(H,22,23,25)