N,N-diethyl-3-[(2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepin-3-yl)sulfanyl]propan-1-amine

Systemtic Name: N,N-diethyl-3-[(2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepin-3-yl)sulfanyl]propan-1-amine Openeye Name: N,N-diethyl-3-[(2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepin-3-yl)sulfanyl]propan-1-amine CAS Name: N,N-diethyl-3-[(2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepin-3-yl)thio]-1-propanamine IUPAC Name: N,N-diethyl-3-[(2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepin-3-yl)sulfanyl]propan-1-amine Traditional Name: diethyl-[3-[(2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepin-3-yl)thio]propyl]amine Formula: C23H31N3S MolecularWeight: 381.57734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCSC1=NC(C2=CC=CC=C2CN1C)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCSC1=NC(C2=CC=CC=C2CN1C)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3S/c1-4-26(5-2)16-11-17-27-23-24-22(19-12-7-6-8-13-19)21-15-10-9-14-20(21)18-25(23)3/h6-10,12-15,22H,4-5,11,16-18H2,1-3H3