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

Systemtic Name: 1-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea CAS Name: 1-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)propylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)propylamino]thiourea Traditional Name: 1-benzyl-3-[1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=C(C=CC1=O)C)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCC(=C1C=C(C=CC1=O)C)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3OS/c1-3-16(15-11-13(2)9-10-17(15)22)20-21-18(23)19-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3,(H2,19,21,23)