1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-octadecyl-thiourea

Systemtic Name: 1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-octadecyl-thiourea Openeye Name: 1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-octadecyl-thiourea CAS Name: 1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-octadecylthiourea IUPAC Name: 1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-octadecylthiourea Traditional Name: 1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-stearyl-thiourea Formula: C26H44BrN3OS MolecularWeight: 526.61606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NNC=C1C=C(C=CC1=O)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NNC=C1C=C(C=CC1=O)Br

InChI

InChI=1S/C26H44BrN3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-26(32)30-29-22-23-21-24(27)18-19-25(23)31/h18-19,21-22,29H,2-17,20H2,1H3,(H2,28,30,32)