3-[(2-azanyl-3-phenyl-propyl)-[2-methyl-2-(phenylmethylsulfanyl)propyl]amino]-2-methyl-4-(propan-2-ylamino)butanethial

Systemtic Name: 3-[(2-azanyl-3-phenyl-propyl)-[2-methyl-2-(phenylmethylsulfanyl)propyl]amino]-2-methyl-4-(propan-2-ylamino)butanethial Openeye Name: 3-[(2-amino-3-phenyl-propyl)-(2-benzylsulfanyl-2-methyl-propyl)amino]-4-(isopropylamino)-2-methyl-butanethial CAS Name: 3-[(2-amino-3-phenylpropyl)-[2-methyl-2-(phenylmethylthio)propyl]amino]-2-methyl-4-(propan-2-ylamino)butanethial IUPAC Name: 3-[(2-amino-3-phenylpropyl)-(2-benzylsulfanyl-2-methylpropyl)amino]-2-methyl-4-(propan-2-ylamino)butanethial Traditional Name: 3-[(2-amino-3-phenyl-propyl)-[2-(benzylthio)-2-methyl-propyl]amino]-4-(isopropylamino)-2-methyl-thiobutyraldehyde Formula: C28H43N3S2 MolecularWeight: 485.79112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C(C)C=S)N(CC(CC1=CC=CC=C1)N)CC(C)(C)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)NCC(C(C)C=S)N(CC(CC1=CC=CC=C1)N)CC(C)(C)SCC2=CC=CC=C2

InChI

InChI=1S/C28H43N3S2/c1-22(2)30-17-27(23(3)19-32)31(18-26(29)16-24-12-8-6-9-13-24)21-28(4,5)33-20-25-14-10-7-11-15-25/h6-15,19,22-23,26-27,30H,16-18,20-21,29H2,1-5H3