(4-aminophenyl)-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]methanone

Systemtic Name: (4-aminophenyl)-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (4-aminophenyl)-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: (4-aminophenyl)-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (4-aminophenyl)-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: (4-aminophenyl)-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]methanone Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CN(C)CCC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C20H23N3OS/c1-22(2)13-11-17-12-14-23(18-5-3-4-6-19(18)25-17)20(24)15-7-9-16(21)10-8-15/h3-10,12,14,17H,11,13,21H2,1-2H3