methyl 4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4S)-thiochroman-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[(4S)-thiochroman-4-yl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H20N2O2S2 MolecularWeight: 324.4615

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1CCSC2=CC=CC=C12

Isomeric SMILES

COC(=O)CCCNC(=S)N[C@H]1CCSC2=CC=CC=C12

InChI

InChI=1S/C15H20N2O2S2/c1-19-14(18)7-4-9-16-15(20)17-12-8-10-21-13-6-3-2-5-11(12)13/h2-3,5-6,12H,4,7-10H2,1H3,(H2,16,17,20)/t12-/m0/s1