1-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[4-(3,4-dimethylphenyl)-1,4-dioxobutyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]amino]-3-p-anisyl-thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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