N-[(1R)-1-(1-adamantyl)ethyl]-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(SC5=C4CCCC5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(SC5=C4CCCC5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H34N2O2S/c1-17(28-14-18-11-19(15-28)13-20(12-18)16-28)29-26(32)24-22-9-5-6-10-23(22)33-27(24)30-25(31)21-7-3-2-4-8-21/h2-4,7-8,17-20H,5-6,9-16H2,1H3,(H,29,32)(H,30,31)/t17-,18?,19?,20?,28?/m1/s1