3-azanyl-N-[(3R)-1-[[4-[2-(carbamothioylamino)phenyl]phenyl]methyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methyl-butanamide

Systemtic Name: 3-azanyl-N-[(3R)-1-[[4-[2-(carbamothioylamino)phenyl]phenyl]methyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methyl-butanamide Openeye Name: 3-amino-N-[(3R)-1-[[4-[2-(carbamothioylamino)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methyl-butanamide CAS Name: 3-amino-N-[(3R)-1-[[4-[2-(carbamothioylamino)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methylbutanamide IUPAC Name: 3-amino-N-[(3R)-1-[[4-[2-(carbamothioylamino)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methylbutanamide Traditional Name: 3-amino-N-[(3R)-2-keto-1-[4-(2-thioureidophenyl)benzyl]-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methyl-butyramide Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=S)N)N

Isomeric SMILES

CC(C)(CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=S)N)N

InChI

InChI=1S/C29H33N5O2S/c1-29(2,31)17-26(35)32-24-16-15-21-7-3-6-10-25(21)34(27(24)36)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)33-28(30)37/h3-14,24H,15-18,31H2,1-2H3,(H,32,35)(H3,30,33,37)/t24-/m1/s1