methyl 4-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H23N3O3S2/c1-10-5-6-12-11(8-10)9-13(24-12)15(21)18-19-16(23)17-7-3-4-14(20)22-2/h9-10H,3-8H2,1-2H3,(H,18,21)(H2,17,19,23)/t10-/m0/s1