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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-3-phenyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-3-phenyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-3-phenylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloro-4-methylphenyl)carbamoylamino]-3-phenylpropanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-3-phenyl-propionamide Formula: C26H22ClN5O4S MolecularWeight: 536.00198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C26H22ClN5O4S/c1-15-7-9-18(13-19(15)27)28-25(34)29-20(11-16-5-3-2-4-6-16)23(33)30-26-32-31-24(37-26)17-8-10-21-22(12-17)36-14-35-21/h2-10,12-13,20H,11,14H2,1H3,(H2,28,29,34)(H,30,32,33)