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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)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'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-isoamyl-isothiourea Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S/c1-10(2)4-5-20-17(19)23-9-12-7-16(21)22-15-6-11(3)14(18)8-13(12)15/h6-8,10H,4-5,9H2,1-3H3,(H2,19,20)