1-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]amino]thiourea CAS Name: 1-[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]amino]thiourea Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O2S/c1-14-8-9-15(2)17(12-14)18(24)10-11-19(25)22-23-20(26)21-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,22,25)(H2,21,23,26)