1-[[5-methoxy-6-oxidanylidene-3-(phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]methylideneamino]-3-(3-methylphenyl)thiourea

Systemtic Name: 1-[[5-methoxy-6-oxidanylidene-3-(phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]methylideneamino]-3-(3-methylphenyl)thiourea Openeye Name: 1-[[5-methoxy-6-oxo-3-(phenylhydrazono)cyclohexa-1,4-dien-1-yl]methyleneamino]-3-(m-tolyl)thiourea CAS Name: 1-[[5-methoxy-6-oxo-3-(phenylhydrazinylidene)-1-cyclohexa-1,4-dienyl]methylideneamino]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[[5-methoxy-6-oxo-3-(phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]methylideneamino]-3-(3-methylphenyl)thiourea Traditional Name: 1-[[6-keto-5-methoxy-3-(phenylhydrazono)cyclohexa-1,4-dien-1-yl]methyleneamino]-3-(m-tolyl)thiourea Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=CC(=NNC3=CC=CC=C3)C=C(C2=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NN=CC2=CC(=NNC3=CC=CC=C3)C=C(C2=O)OC

InChI

InChI=1S/C22H21N5O2S/c1-15-7-6-10-18(11-15)24-22(30)27-23-14-16-12-19(13-20(29-2)21(16)28)26-25-17-8-4-3-5-9-17/h3-14,25H,1-2H3,(H2,24,27,30)