1-(4-chlorophenyl)-3-[(4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[4-(2-naphthyl)-4-oxo-butanoyl]amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[4-(2-naphthalenyl)-1,4-dioxobutyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[[4-keto-4-(2-naphthyl)butanoyl]amino]thiourea Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)CCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O2S/c22-17-7-9-18(10-8-17)23-21(28)25-24-20(27)12-11-19(26)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2,(H,24,27)(H2,23,25,28)