1-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]thiourea CAS Name: 1-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]thiourea Traditional Name: 1-benzyl-3-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]thiourea Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-14-17-9-8-16(28-2)12-19(17)29-21(27)18(14)10-11-20(26)24-25-22(30)23-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,24,26)(H2,23,25,30)