methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(thiophen-2-ylmethyl)amino]butanoate

Systemtic Name: methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(thiophen-2-ylmethyl)amino]butanoate Openeye Name: methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(2-thienylmethyl)amino]butanoate CAS Name: 4-[3-[[(4-bromoanilino)-oxomethyl]amino]propyl-(thiophen-2-ylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(thiophen-2-ylmethyl)amino]butanoate Traditional Name: 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(2-thenyl)amino]butyric acid methyl ester Formula: C20H26BrN3O3S MolecularWeight: 468.40774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCCNC(=O)NC1=CC=C(C=C1)Br)CC2=CC=CS2

Isomeric SMILES

COC(=O)CCCN(CCCNC(=O)NC1=CC=C(C=C1)Br)CC2=CC=CS2

InChI

InChI=1S/C20H26BrN3O3S/c1-27-19(25)6-2-12-24(15-18-5-3-14-28-18)13-4-11-22-20(26)23-17-9-7-16(21)8-10-17/h3,5,7-10,14H,2,4,6,11-13,15H2,1H3,(H2,22,23,26)