(1R)-N-ethyl-1-[(ethylcarbamothioylamino)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (1R)-N-ethyl-1-[(ethylcarbamothioylamino)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1R)-N-ethyl-1-[(ethylcarbamothioylamino)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1R)-N-ethyl-1-[[[ethylamino(sulfanylidene)methyl]amino]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1R)-N-ethyl-1-[(ethylcarbamothioylamino)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1R)-N-ethyl-1-[(ethylthiocarbamoylamino)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H28N4O2S2 MolecularWeight: 396.57052

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1C2=CC(=C(C=C2CCN1C(=S)NCC)OC)OC

Isomeric SMILES

CCNC(=S)NC[C@H]1C2=CC(=C(C=C2CCN1C(=S)NCC)OC)OC

InChI

InChI=1S/C18H28N4O2S2/c1-5-19-17(25)21-11-14-13-10-16(24-4)15(23-3)9-12(13)7-8-22(14)18(26)20-6-2/h9-10,14H,5-8,11H2,1-4H3,(H,20,26)(H2,19,21,25)/t14-/m0/s1