methyl 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C26H27BrN4O4S MolecularWeight: 571.48598

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

InChI

InChI=1S/C26H27BrN4O4S/c1-30-10-12-31(13-11-30)21-9-8-17(25(33)35-3)15-20(21)28-26(36)29-24(32)19-14-16-6-4-5-7-18(16)22(27)23(19)34-2/h4-9,14-15H,10-13H2,1-3H3,(H2,28,29,32,36)