methyl N-[4-[2-(dimethylamino)ethanoylamino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate

Systemtic Name: methyl N-[4-[2-(dimethylamino)ethanoylamino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate Openeye Name: methyl N-[4-[[2-(dimethylamino)acetyl]amino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate CAS Name: N-[4-[[2-(dimethylamino)-1-oxoethyl]amino]-3-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[[2-(dimethylamino)acetyl]amino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate Traditional Name: N-[3-(carbethoxythiocarbamoylamino)-4-[[2-(dimethylamino)acetyl]amino]phenyl]carbamic acid methyl ester Formula: C16H23N5O5S MolecularWeight: 397.44932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O5S/c1-5-26-16(24)20-14(27)19-12-8-10(17-15(23)25-4)6-7-11(12)18-13(22)9-21(2)3/h6-8H,5,9H2,1-4H3,(H,17,23)(H,18,22)(H2,19,20,24,27)