(1R)-6,7-dimethoxy-1-[(propan-2-ylcarbamothioylamino)methyl]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (1R)-6,7-dimethoxy-1-[(propan-2-ylcarbamothioylamino)methyl]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1R)-N-allyl-1-[(isopropylcarbamothioylamino)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1R)-6,7-dimethoxy-1-[[[(propan-2-ylamino)-sulfanylidenemethyl]amino]methyl]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1R)-6,7-dimethoxy-1-[(propan-2-ylcarbamothioylamino)methyl]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1R)-N-allyl-1-[(isopropylthiocarbamoylamino)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H30N4O2S2 MolecularWeight: 422.6078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S2/c1-6-8-21-20(28)24-9-7-14-10-17(25-4)18(26-5)11-15(14)16(24)12-22-19(27)23-13(2)3/h6,10-11,13,16H,1,7-9,12H2,2-5H3,(H,21,28)(H2,22,23,27)/t16-/m0/s1