1-chloranyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-isoquinoline-3-carboxamide Openeye Name: N-allyl-1-chloro-N-(4-phenylthiazol-2-yl)isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(4-phenyl-2-thiazolyl)-N-prop-2-enyl-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylisoquinoline-3-carboxamide Traditional Name: N-allyl-1-chloro-N-(4-phenylthiazol-2-yl)isoquinoline-3-carboxamide Formula: C22H16ClN3OS MolecularWeight: 405.89994

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C22H16ClN3OS/c1-2-12-26(22-25-19(14-28-22)15-8-4-3-5-9-15)21(27)18-13-16-10-6-7-11-17(16)20(23)24-18/h2-11,13-14H,1,12H2