N-[[(4Z)-4-indol-3-ylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline

Systemtic Name: N-[[(4Z)-4-indol-3-ylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline Openeye Name: N-[[(4Z)-4-indol-3-ylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline CAS Name: N-[[(4Z)-4-(3-indolylidene)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline IUPAC Name: N-[[(4Z)-4-indol-3-ylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline Traditional Name: [(4Z)-4-indol-3-ylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl-phenyl-amine Formula: C30H25N3S MolecularWeight: 459.6046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=C3C=NC4=CC=CC=C43)NC5=CC=CC=C5S2)CNC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2C(/C(=C\3/C=NC4=CC=CC=C43)/NC5=CC=CC=C5S2)CNC6=CC=CC=C6

InChI

InChI=1S/C30H25N3S/c1-3-11-21(12-4-1)30-25(20-31-22-13-5-2-6-14-22)29(33-27-17-9-10-18-28(27)34-30)24-19-32-26-16-8-7-15-23(24)26/h1-19,25,30-31,33H,20H2/b29-24+