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

Systemtic Name: 1-[[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]thiourea CAS Name: 1-[[1,4-dioxo-4-(4-propoxyphenyl)butyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-keto-4-(4-propoxyphenyl)butanoyl]amino]thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-2-14-27-18-10-8-17(9-11-18)19(25)12-13-20(26)23-24-21(28)22-15-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,23,26)(H2,22,24,28)