2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C29H31N5O4S MolecularWeight: 545.65254

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)NC5=NN=C(S5)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)NC5=NN=C(S5)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H31N5O4S/c35-25(31-28-34-33-26(39-28)21-6-7-23-24(12-21)38-16-37-23)22(11-17-4-2-1-3-5-17)30-27(36)32-29-13-18-8-19(14-29)10-20(9-18)15-29/h1-7,12,18-20,22H,8-11,13-16H2,(H2,30,32,36)(H,31,34,35)