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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic 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'-phenethylcarbamimidothioate Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-3-phenethyl-isothiourea Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCCC3=CC=CC=C3)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCCC3=CC=CC=C3)N)C(C)C

InChI

InChI=1S/C23H26N2O2S/c1-15(2)19-13-20-18(12-22(26)27-21(20)11-16(19)3)14-28-23(24)25-10-9-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3,(H2,24,25)