(4-azanyl-3-phenethyl-2-sulfanylidene-1,3-thiazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (4-azanyl-3-phenethyl-2-sulfanylidene-1,3-thiazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (4-amino-3-phenethyl-2-thioxo-thiazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (4-amino-3-phenethyl-2-sulfanylidene-5-thiazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (4-amino-3-phenethyl-2-sulfanylidene-1,3-thiazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (4-amino-3-phenethyl-2-thioxo-4-thiazolin-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N(C(=S)S3)CCC4=CC=CC=C4)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N(C(=S)S3)CCC4=CC=CC=C4)N

InChI

InChI=1S/C21H21N3OS2/c22-19-18(20(25)23-12-11-16-8-4-5-9-17(16)14-23)27-21(26)24(19)13-10-15-6-2-1-3-7-15/h1-9H,10-14,22H2