methyl 3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O4S/c1-29-10-12-30(13-11-29)22-9-8-19(25(32)34-3)15-21(22)27-26(35)28-24(31)20-14-17-6-4-5-7-18(17)16-23(20)33-2/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,31,35)