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

Systemtic Name: 5-bromanyl-N-[2-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-4-oxidanyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[3-hydroxy-1-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]propyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[4-hydroxy-2-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[4-hydroxy-2-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[3-hydroxy-1-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]propyl]thiophene-2-carboxamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)(C(=O)NC1=CC2=C(CCN(CC2)C)C=C1)NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(CCO)(C(=O)NC1=CC2=C(CCN(CC2)C)C=C1)NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-21(9-12-26,24-19(27)17-5-6-18(22)29-17)20(28)23-16-4-3-14-7-10-25(2)11-8-15(14)13-16/h3-6,13,26H,7-12H2,1-2H3,(H,23,28)(H,24,27)