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

Systemtic Name: methyl N-[[6-azanylidene-2-(furan-2-ylmethyl)cyclohexa-1,3-dien-1-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(2-furylmethyl)-6-imino-cyclohexa-1,3-dien-1-yl]carbamothioyl]carbamate CAS Name: N-[[[2-(2-furanylmethyl)-6-imino-1-cyclohexa-1,3-dienyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(furan-2-ylmethyl)-6-iminocyclohexa-1,3-dien-1-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(2-furfuryl)-6-imino-cyclohexa-1,3-dien-1-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CCC1=N)CC2=CC=CO2

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CCC1=N)CC2=CC=CO2

InChI

InChI=1S/C14H15N3O3S/c1-19-14(18)17-13(21)16-12-9(4-2-6-11(12)15)8-10-5-3-7-20-10/h2-5,7,15H,6,8H2,1H3,(H2,16,17,18,21)