methyl 2-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]carbamoylamino]benzoate Openeye Name: methyl 2-[[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]carbamoylamino]benzoate CAS Name: 2-[[[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]carbamoylamino]benzoate Traditional Name: 2-[[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]carbamoylamino]benzoic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NNC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NNC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H21N3O4S/c1-11-7-8-12-14(10-27-16(12)9-11)17(23)21-22-19(25)20-15-6-4-3-5-13(15)18(24)26-2/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)(H2,20,22,25)