1-methyl-1-[[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-methyl-1-[[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]thiourea CAS Name: 1-[[1,4-dioxo-4-(4-propoxyphenyl)butyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]thiourea Traditional Name: 3-benzyl-1-[[4-keto-4-(4-propoxyphenyl)butanoyl]amino]-1-methyl-thiourea Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-3-15-28-19-11-9-18(10-12-19)20(26)13-14-21(27)24-25(2)22(29)23-16-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H,23,29)(H,24,27)