3-[[7-chloranyl-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-[[7-chloranyl-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-propan-1-amine Openeye Name: 3-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-propan-1-amine CAS Name: 3-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]thio]-N,N-dimethyl-1-propanamine IUPAC Name: 3-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylpropan-1-amine Traditional Name: 3-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]thio]propyl-dimethyl-amine Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3OC

Isomeric SMILES

CN(C)CCCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3OC

InChI

InChI=1S/C21H24ClN3OS/c1-25(2)11-6-12-27-20-14-23-21(16-7-4-5-8-19(16)26-3)17-13-15(22)9-10-18(17)24-20/h4-5,7-10,13H,6,11-12,14H2,1-3H3