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

Systemtic Name: 3-(3,4-dichlorophenyl)-5-morpholin-4-yl-7-phenylazanyl-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-3-(3,4-dichlorophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-(3,4-dichlorophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-(3,4-dichlorophenyl)-5-morpholin-4-yl-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-(3,4-dichlorophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile Formula: C22H18Cl2N4OS MolecularWeight: 457.37552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18Cl2N4OS/c23-18-7-6-15(12-19(18)24)20-14-30-22(26-16-4-2-1-3-5-16)17(13-25)21(27-20)28-8-10-29-11-9-28/h1-7,12,14,26H,8-11H2