(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-[(1R)-1,5-dimethylhexyl]isothiourea CAS Name: N'-[(2R)-6-methylheptan-2-yl]carbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-[(1R)-1,5-dimethylhexyl]isothiourea Formula: C20H27ClN2O2S MolecularWeight: 394.95858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC(C)CCCC(C)C)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=N[C@H](C)CCCC(C)C)N)Cl

InChI

InChI=1S/C20H27ClN2O2S/c1-12(2)6-5-7-14(4)23-20(22)26-11-15-9-19(24)25-18-8-13(3)17(21)10-16(15)18/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)/t14-/m1/s1