(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)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'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-12(2)6-7-22-20(21)25-11-15-9-19(23)24-18-8-14(5)16(13(3)4)10-17(15)18/h8-10,12-13H,6-7,11H2,1-5H3,(H2,21,22)