4-methyl-2-[4-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]pentanoic acid

Systemtic Name: 4-methyl-2-[4-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]pentanoic acid Openeye Name: 4-methyl-2-[4-[(3-phenyl-2-thioxo-propanoyl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]pentanoic acid CAS Name: 4-methyl-2-[4-[(1-oxo-3-phenyl-2-sulfanylidenepropyl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]pentanoic acid IUPAC Name: 4-methyl-2-[4-[(3-phenyl-2-sulfanylidenepropanoyl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]pentanoic acid Traditional Name: 4-methyl-2-[4-[(3-phenyl-2-thioxo-propanoyl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]valeric acid Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1CC(CC2=CC=CC=C2C1)NC(=O)C(=S)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)N1CC(CC2=CC=CC=C2C1)NC(=O)C(=S)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3S/c1-17(2)12-22(25(29)30)27-15-20-11-7-6-10-19(20)14-21(16-27)26-24(28)23(31)13-18-8-4-3-5-9-18/h3-11,17,21-22H,12-16H2,1-2H3,(H,26,28)(H,29,30)