1-[1-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[1-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[1-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-[1-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[1-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-benzyl-3-[1-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Formula: C17H19N3O2S MolecularWeight: 329.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=CC1=O)OC)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(=C1C=CC(=CC1=O)OC)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O2S/c1-12(15-9-8-14(22-2)10-16(15)21)19-20-17(23)18-11-13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3,(H2,18,20,23)