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

Systemtic Name: 1-(2-methylphenyl)-3-[(4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]thiourea Openeye Name: 1-[[4-(2-naphthyl)-4-oxo-butanoyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[[4-(2-naphthalenyl)-1,4-dioxobutyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]thiourea Traditional Name: 1-[[4-keto-4-(2-naphthyl)butanoyl]amino]-3-(o-tolyl)thiourea Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)CCC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)CCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21N3O2S/c1-15-6-2-5-9-19(15)23-22(28)25-24-21(27)13-12-20(26)18-11-10-16-7-3-4-8-17(16)14-18/h2-11,14H,12-13H2,1H3,(H,24,27)(H2,23,25,28)