N-[(2R)-1-[[4-(azepan-1-yl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-1-[[4-(azepan-1-yl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-1-[[4-(azepan-1-yl)phenyl]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[(2R)-1-[4-(1-azepanyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-1-[4-(azepan-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-1-[[4-(azepan-1-yl)phenyl]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)N2CCCCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O2S/c1-16(2)20(24-21(26)19-8-7-15-28-19)22(27)23-17-9-11-18(12-10-17)25-13-5-3-4-6-14-25/h7-12,15-16,20H,3-6,13-14H2,1-2H3,(H,23,27)(H,24,26)/t20-/m1/s1