propan-2-yl N-[3-(ethoxycarbonylcarbamothioylamino)-4-(methoxycarbonylamino)phenyl]carbamate

Systemtic Name: propan-2-yl N-[3-(ethoxycarbonylcarbamothioylamino)-4-(methoxycarbonylamino)phenyl]carbamate Openeye Name: methyl N-[2-(ethoxycarbonylcarbamothioylamino)-4-(isopropoxycarbonylamino)phenyl]carbamate CAS Name: N-[3-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(methoxycarbonylamino)phenyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[3-(ethoxycarbonylcarbamothioylamino)-4-(methoxycarbonylamino)phenyl]carbamate Traditional Name: N-[3-(carbethoxythiocarbamoylamino)-4-(carbomethoxyamino)phenyl]carbamic acid isopropyl ester Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)NC(=O)OC(C)C)NC(=O)OC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)NC(=O)OC(C)C)NC(=O)OC

InChI

InChI=1S/C16H22N4O6S/c1-5-25-15(22)20-13(27)18-12-8-10(17-16(23)26-9(2)3)6-7-11(12)19-14(21)24-4/h6-9H,5H2,1-4H3,(H,17,23)(H,19,21)(H2,18,20,22,27)