4-(1-adamantyl)-N-[(2S)-1-[(4-methylcyclohexyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-1-[(4-methylcyclohexyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-(1-adamantyl)-N-[(1S)-1-[(4-methylcyclohexyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 4-(1-adamantyl)-N-[(2S)-1-[(4-methylcyclohexyl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-1-[(4-methylcyclohexyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 4-(1-adamantyl)-N-[(1S)-1-[(4-methylcyclohexyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C29H42N2O2S MolecularWeight: 482.72098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCC(CC1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H42N2O2S/c1-19-3-9-25(10-4-19)30-28(33)26(11-12-34-2)31-27(32)23-5-7-24(8-6-23)29-16-20-13-21(17-29)15-22(14-20)18-29/h5-8,19-22,25-26H,3-4,9-18H2,1-2H3,(H,30,33)(H,31,32)/t19?,20?,21?,22?,25?,26-,29?/m0/s1