3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-(3-phenylpropylsulfanyl)aniline

Systemtic Name: 3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-(3-phenylpropylsulfanyl)aniline Openeye Name: 3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]-4-(3-phenylpropylsulfanyl)aniline CAS Name: 3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-(3-phenylpropylthio)aniline IUPAC Name: 3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-(3-phenylpropylsulfanyl)aniline Traditional Name: [3-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]-4-(3-phenylpropylthio)phenyl]amine Formula: C27H29N3S MolecularWeight: 427.60426

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=C(C=CC(=C3)N)SCCCC4=CC=CC=C4

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=C(C=CC(=C3)N)SCCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3S/c1-30-18-17-29-25(24-11-5-6-12-26(24)30)15-13-22-20-23(28)14-16-27(22)31-19-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-16,20H,7,10,17-19,28H2,1H3/b15-13+