N-[(2R)-3-benzamido-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxidanylidene-propan-2-yl]-5-bromanyl-thiophene-2-carboxamide

Systemtic Name: N-[(2R)-3-benzamido-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxidanylidene-propan-2-yl]-5-bromanyl-thiophene-2-carboxamide Openeye Name: N-[(1R)-1-(benzamidomethyl)-2-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-2-oxo-ethyl]-5-bromo-thiophene-2-carboxamide CAS Name: N-[(2R)-3-benzamido-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxopropan-2-yl]-5-bromo-2-thiophenecarboxamide IUPAC Name: N-[(2R)-3-benzamido-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide Traditional Name: N-[(1R)-1-(benzamidomethyl)-2-keto-2-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]ethyl]-5-bromo-thiophene-2-carboxamide Formula: C26H27BrN4O3S MolecularWeight: 555.48658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C=C(C=C2)NC(=O)C(CNC(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(S4)Br

Isomeric SMILES

CN1CCC2=C(CC1)C=C(C=C2)NC(=O)[C@@H](CNC(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C26H27BrN4O3S/c1-31-13-11-17-7-8-20(15-19(17)12-14-31)29-25(33)21(30-26(34)22-9-10-23(27)35-22)16-28-24(32)18-5-3-2-4-6-18/h2-10,15,21H,11-14,16H2,1H3,(H,28,32)(H,29,33)(H,30,34)/t21-/m1/s1