(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 3-isobutyl-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 3-isobutyl-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCC(C)C)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCC(C)C)N)C(C)C

InChI

InChI=1S/C19H26N2O2S/c1-11(2)9-21-19(20)24-10-14-7-18(22)23-17-6-13(5)15(12(3)4)8-16(14)17/h6-8,11-12H,9-10H2,1-5H3,(H2,20,21)