9-bromanyl-3-methyl-5-phenyl-1-propyl-3H-[1]benzothiolo[3,2-e][1,4]diazepin-2-one

Systemtic Name: 9-bromanyl-3-methyl-5-phenyl-1-propyl-3H-[1]benzothiolo[3,2-e][1,4]diazepin-2-one Openeye Name: 9-bromo-3-methyl-5-phenyl-1-propyl-3H-benzothiopheno[3,2-e][1,4]diazepin-2-one CAS Name: 9-bromo-3-methyl-5-phenyl-1-propyl-3H-[1]benzothiolo[3,2-e][1,4]diazepin-2-one IUPAC Name: 9-bromo-3-methyl-5-phenyl-1-propyl-3H-[1]benzothiolo[3,2-e][1,4]diazepin-2-one Traditional Name: 9-bromo-3-methyl-5-phenyl-1-propyl-3H-benzothiopheno[3,2-e][1,4]diazepin-2-one Formula: C21H19BrN2OS MolecularWeight: 427.35736

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(N=C(C2=C1C3=C(S2)C=CC(=C3)Br)C4=CC=CC=C4)C

Isomeric SMILES

CCCN1C(=O)C(N=C(C2=C1C3=C(S2)C=CC(=C3)Br)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19BrN2OS/c1-3-11-24-19-16-12-15(22)9-10-17(16)26-20(19)18(23-13(2)21(24)25)14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3