7-bromanyl-5-(3-ethylsulfinylphenyl)-8-propoxy-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-bromanyl-5-(3-ethylsulfinylphenyl)-8-propoxy-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-3H-1,4-benzodiazepin-2-amine CAS Name: 7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-3H-1,4-benzodiazepin-2-amine Traditional Name: [7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-3H-1,4-benzodiazepin-2-yl]amine Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)N=C(CN=C2C3=CC(=CC=C3)S(=O)CC)N)Br

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)N=C(CN=C2C3=CC(=CC=C3)S(=O)CC)N)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-3-8-26-18-11-17-15(10-16(18)21)20(23-12-19(22)24-17)13-6-5-7-14(9-13)27(25)4-2/h5-7,9-11H,3-4,8,12H2,1-2H3,(H2,22,24)