2-[1-ethyl-7-[methyl-[4-[(E)-thiomorpholin-4-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: 2-[1-ethyl-7-[methyl-[4-[(E)-thiomorpholin-4-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 2-[1-ethyl-7-[methyl-[4-[(E)-thiomorpholinoiminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[1-ethyl-7-[[N-methyl-4-[(E)-thiomorpholin-4-yliminomethyl]anilino]-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate IUPAC Name: 2-[1-ethyl-7-[methyl-[4-[(E)-thiomorpholin-4-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[1-ethyl-7-[methyl-[4-[(E)-thiomorpholinoiminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Formula: C26H31N4O3S- MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1CC(=O)[O-])C=CC(=C2)C(=O)N(C)C3=CC=C(C=C3)C=NN4CCSCC4

Isomeric SMILES

CCC1C2=C(CCN1CC(=O)[O-])C=CC(=C2)C(=O)N(C)C3=CC=C(C=C3)/C=N/N4CCSCC4

InChI

InChI=1S/C26H32N4O3S/c1-3-24-23-16-21(7-6-20(23)10-11-29(24)18-25(31)32)26(33)28(2)22-8-4-19(5-9-22)17-27-30-12-14-34-15-13-30/h4-9,16-17,24H,3,10-15,18H2,1-2H3,(H,31,32)/p-1/b27-17+