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

Systemtic Name: 1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-hexadecyl-thiourea Openeye Name: 1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-hexadecyl-thiourea CAS Name: 1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-hexadecylthiourea IUPAC Name: 1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-hexadecylthiourea Traditional Name: 1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-cetyl-thiourea Formula: C24H40BrN3OS MolecularWeight: 498.5629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40BrN3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-24(30)28-27-20-21-19-22(25)16-17-23(21)29/h16-17,19-20,27H,2-15,18H2,1H3,(H2,26,28,30)