1-prop-2-enyl-3-[4-[6-(prop-2-enylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea

Systemtic Name: 1-prop-2-enyl-3-[4-[6-(prop-2-enylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea Openeye Name: 1-allyl-3-[4-[6-(allylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea CAS Name: 1-prop-2-enyl-3-[4-[6-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1H-benzimidazol-2-yl]phenyl]thiourea IUPAC Name: 1-prop-2-enyl-3-[4-[6-(prop-2-enylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea Traditional Name: 1-allyl-3-[4-[6-(allylthiocarbamoylamino)-1H-benzimidazol-2-yl]phenyl]thiourea Formula: C21H22N6S2 MolecularWeight: 422.56958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC(=S)NCC=C

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC(=S)NCC=C

InChI

InChI=1S/C21H22N6S2/c1-3-11-22-20(28)24-15-7-5-14(6-8-15)19-26-17-10-9-16(13-18(17)27-19)25-21(29)23-12-4-2/h3-10,13H,1-2,11-12H2,(H,26,27)(H2,22,24,28)(H2,23,25,29)