N-ethyl-1-[[2-(4-phenoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-2-amine hydrochloride

Systemtic Name: N-ethyl-1-[[2-(4-phenoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-2-amine hydrochloride Openeye Name: N-ethyl-1-[[2-(4-phenoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-2-amine hydrochloride CAS Name: N-ethyl-1-[[2-(4-phenoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-2-butanamine hydrochloride IUPAC Name: N-ethyl-1-[[2-(4-phenoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-2-amine hydrochloride Traditional Name: ethyl-[1-[[[2-(4-phenoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]methyl]propyl]amine hydrochloride Formula: C27H30ClN3OS MolecularWeight: 480.0646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)OC4=CC=CC=C4)NCC.Cl

Isomeric SMILES

CCC(CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)OC4=CC=CC=C4)NCC.Cl

InChI

InChI=1S/C27H29N3OS.ClH/c1-3-21(28-4-2)19-32-27-18-26(29-24-12-8-9-13-25(24)30-27)20-14-16-23(17-15-20)31-22-10-6-5-7-11-22;/h5-17,21,28H,3-4,18-19H2,1-2H3;1H