ethyl (NE)-N-[ethylsulfanyl-[(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]methylidene]carbamate

Systemtic Name: ethyl (NE)-N-[ethylsulfanyl-[(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]methylidene]carbamate Openeye Name: ethyl (NE)-N-[ethylsulfanyl-[(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]methylene]carbamate CAS Name: (NE)-N-[(ethylthio)-[(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]methylidene]carbamic acid ethyl ester IUPAC Name: ethyl (NE)-N-[ethylsulfanyl-[(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]methylidene]carbamate Traditional Name: (NE)-N-[(ethylthio)-[(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]methylene]carbamic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C)SCC

Isomeric SMILES

CCOC(=O)/N=C(\NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C)/SCC

InChI

InChI=1S/C22H27N3O2S/c1-4-27-22(26)24-21(28-5-2)23-20-13-9-12-17-18(14-25(3)15-19(17)20)16-10-7-6-8-11-16/h6-13,18H,4-5,14-15H2,1-3H3,(H,23,24,26)