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

Systemtic Name: 1-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]amino]-1-methyl-thiourea CAS Name: 1-[[4-(4-ethoxyphenyl)-1,4-dioxobutyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(4-keto-4-p-phenetyl-butanoyl)amino]-1-methyl-thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-3-27-18-11-9-17(10-12-18)19(25)13-14-20(26)23-24(2)21(28)22-15-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,22,28)(H,23,26)