N-[3-[(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]propyl]adamantane-1-carboxamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N6CCOCC6

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N6CCOCC6

InChI

InChI=1S/C27H37N3O4S/c31-22(5-6-28-26(33)27-14-17-11-18(15-27)13-19(12-17)16-27)29-24-23(20-3-1-2-4-21(20)35-24)25(32)30-7-9-34-10-8-30/h17-19H,1-16H2,(H,28,33)(H,29,31)