2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]ethylcarbamic acid

Systemtic Name: 2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]ethylcarbamic acid Openeye Name: 2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]ethylcarbamic acid CAS Name: 2-[[[5-(1H-indol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]amino]ethylcarbamic acid IUPAC Name: 2-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]ethylcarbamic acid Traditional Name: 2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]thiocarbamoylamino]ethylcarbamic acid Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)NC(=S)NCCNC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)NC(=S)NCCNC(=O)O

InChI

InChI=1S/C19H20N4O3S/c1-26-17-7-6-13(15-10-12-4-2-3-5-14(12)22-15)11-16(17)23-18(27)20-8-9-21-19(24)25/h2-7,10-11,21-22H,8-9H2,1H3,(H,24,25)(H2,20,23,27)