3-(4-bromophenyl)-5-morpholin-4-yl-7-phenylazanyl-1,4-thiazepine-6-carbonitrile

Systemtic Name: 3-(4-bromophenyl)-5-morpholin-4-yl-7-phenylazanyl-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-(4-bromophenyl)-5-morpholin-4-yl-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN4OS/c23-17-8-6-16(7-9-17)20-15-29-22(25-18-4-2-1-3-5-18)19(14-24)21(26-20)27-10-12-28-13-11-27/h1-9,15,25H,10-13H2