3-(4-methyl-2-oxidanylidene-chromen-7-yl)-1,1-dipentyl-thiourea

Systemtic Name: 3-(4-methyl-2-oxidanylidene-chromen-7-yl)-1,1-dipentyl-thiourea Openeye Name: 3-(4-methyl-2-oxo-chromen-7-yl)-1,1-dipentyl-thiourea CAS Name: 3-(4-methyl-2-oxo-1-benzopyran-7-yl)-1,1-dipentylthiourea IUPAC Name: 3-(4-methyl-2-oxochromen-7-yl)-1,1-dipentylthiourea Traditional Name: 1,1-diamyl-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C21H30N2O2S/c1-4-6-8-12-23(13-9-7-5-2)21(26)22-17-10-11-18-16(3)14-20(24)25-19(18)15-17/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,22,26)