1-(2-methylphenyl)-3-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(2-methylphenyl)-3-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylamino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethylamino]-3-(o-tolyl)thiourea Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=C2C=CC(=O)C=C2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=C2C=CC(=O)C=C2)C

InChI

InChI=1S/C16H17N3OS/c1-11-5-3-4-6-15(11)17-16(21)19-18-12(2)13-7-9-14(20)10-8-13/h3-10,18H,1-2H3,(H2,17,19,21)