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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=C2C=CC(=O)C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=C2C=CC(=O)C=C2)C

InChI

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