methyl 4-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)carbamothioylamino]butanoate CAS Name: 4-[[[[4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)carbamothioylamino]butanoate Traditional Name: 4-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC2=C(S1)CCCCCC2

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC2=C(S1)CCCCCC2

InChI

InChI=1S/C17H25N3O3S2/c1-23-15(21)9-6-10-18-17(24)20-19-16(22)14-11-12-7-4-2-3-5-8-13(12)25-14/h11H,2-10H2,1H3,(H,19,22)(H2,18,20,24)