methyl N-[[6-azanylidene-2-(furan-2-ylmethyl)-3-propylsulfanyl-cyclohexa-1,3-dien-1-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[6-azanylidene-2-(furan-2-ylmethyl)-3-propylsulfanyl-cyclohexa-1,3-dien-1-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(2-furylmethyl)-6-imino-3-propylsulfanyl-cyclohexa-1,3-dien-1-yl]carbamothioyl]carbamate CAS Name: N-[[[2-(2-furanylmethyl)-6-imino-3-(propylthio)-1-cyclohexa-1,3-dienyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(furan-2-ylmethyl)-6-imino-3-propylsulfanylcyclohexa-1,3-dien-1-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(2-furfuryl)-6-imino-3-(propylthio)cyclohexa-1,3-dien-1-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CCC(=N)C(=C1CC2=CC=CO2)NC(=S)NC(=O)OC

Isomeric SMILES

CCCSC1=CCC(=N)C(=C1CC2=CC=CO2)NC(=S)NC(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-3-9-25-14-7-6-13(18)15(19-16(24)20-17(21)22-2)12(14)10-11-5-4-8-23-11/h4-5,7-8,18H,3,6,9-10H2,1-2H3,(H2,19,20,21,24)