N-[(Z)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]adamantane-1-carboxamide bromide

Systemtic Name: N-[(Z)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]adamantane-1-carboxamide bromide Openeye Name: N-[(Z)-[3-allyl-4-(p-tolyl)thiazol-2-ylidene]amino]adamantane-1-carboxamide bromide CAS Name: N-[(Z)-[4-(4-methylphenyl)-3-prop-2-enyl-2-thiazolylidene]amino]-1-adamantanecarboxamide bromide IUPAC Name: N-[(Z)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]adamantane-1-carboxamide bromide Traditional Name: N-[(Z)-[3-allyl-4-(p-tolyl)-4-thiazolin-2-ylidene]amino]adamantane-1-carboxamide bromide Formula: C24H29BrN3OS- MolecularWeight: 487.47556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=NNC(=O)C34CC5CC(C3)CC(C5)C4)N2CC=C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CS/C(=N\NC(=O)C34CC5CC(C3)CC(C5)C4)/N2CC=C.[Br-]

InChI

InChI=1S/C24H29N3OS.BrH/c1-3-8-27-21(20-6-4-16(2)5-7-20)15-29-23(27)26-25-22(28)24-12-17-9-18(13-24)11-19(10-17)14-24;/h3-7,15,17-19H,1,8-14H2,2H3,(H,25,28);1H/p-1/b26-23-;