methyl 4-[3-[(3,4-dichlorophenyl)carbamothioylamino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate

Systemtic Name: methyl 4-[3-[(3,4-dichlorophenyl)carbamothioylamino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate Openeye Name: methyl 4-[3-[(3,4-dichlorophenyl)carbamothioylamino]propyl-tetralin-1-yl-amino]butanoate CAS Name: 4-[3-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[(3,4-dichlorophenyl)carbamothioylamino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate Traditional Name: 4-[3-[(3,4-dichlorophenyl)thiocarbamoylamino]propyl-tetralin-1-yl-amino]butyric acid methyl ester Formula: C25H31Cl2N3O2S MolecularWeight: 508.50354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCCNC(=S)NC1=CC(=C(C=C1)Cl)Cl)C2CCCC3=CC=CC=C23

Isomeric SMILES

COC(=O)CCCN(CCCNC(=S)NC1=CC(=C(C=C1)Cl)Cl)C2CCCC3=CC=CC=C23

InChI

InChI=1S/C25H31Cl2N3O2S/c1-32-24(31)11-5-15-30(23-10-4-8-18-7-2-3-9-20(18)23)16-6-14-28-25(33)29-19-12-13-21(26)22(27)17-19/h2-3,7,9,12-13,17,23H,4-6,8,10-11,14-16H2,1H3,(H2,28,29,33)