1-morpholin-4-yl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-morpholin-4-yl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-morpholino-3-(2-morpholino-2-oxo-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-morpholin-4-yl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2-keto-2-morpholino-ethyl)thio]-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)N3CCOCC3)N4CCOCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C20H26N4O3S/c21-13-17-15-3-1-2-4-16(15)19(24-7-11-27-12-8-24)22-20(17)28-14-18(25)23-5-9-26-10-6-23/h1-12,14H2