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

Systemtic Name: 1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-dodecyl-thiourea Openeye Name: 1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-dodecyl-thiourea CAS Name: 1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-dodecylthiourea IUPAC Name: 1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-dodecylthiourea Traditional Name: 1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-lauryl-thiourea Formula: C20H32BrN3OS MolecularWeight: 442.45658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32BrN3OS/c1-2-3-4-5-6-7-8-9-10-11-14-22-20(26)24-23-16-17-15-18(21)12-13-19(17)25/h12-13,15-16,23H,2-11,14H2,1H3,(H2,22,24,26)