1-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-thiourea CAS Name: 1-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-thiourea Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=CC=C(C2=O)OC

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=CC=C(C2=O)OC

InChI

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