methyl (E)-3-[2-chloranyl-5-(1,2-diazinan-1-ylcarbothioylamino)phenyl]-2-methyl-prop-2-enoate

Systemtic Name: methyl (E)-3-[2-chloranyl-5-(1,2-diazinan-1-ylcarbothioylamino)phenyl]-2-methyl-prop-2-enoate Openeye Name: methyl (E)-3-[2-chloro-5-(hexahydropyridazine-1-carbothioylamino)phenyl]-2-methyl-prop-2-enoate CAS Name: (E)-3-[2-chloro-5-[[1-diazinanyl(sulfanylidene)methyl]amino]phenyl]-2-methyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-chloro-5-(diazinane-1-carbothioylamino)phenyl]-2-methylprop-2-enoate Traditional Name: (E)-3-[2-chloro-5-(hexahydropyridazine-1-carbothioylamino)phenyl]-2-methyl-acrylic acid methyl ester Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)NC(=S)N2CCCCN2)Cl)C(=O)OC

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)NC(=S)N2CCCCN2)Cl)/C(=O)OC

InChI

InChI=1S/C16H20ClN3O2S/c1-11(15(21)22-2)9-12-10-13(5-6-14(12)17)19-16(23)20-8-4-3-7-18-20/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,23)/b11-9+